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remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
add_definitions(-DRDKIT_FINGERPRINTS_BUILD)
rdkit_library(Fingerprints
Fingerprints.cpp PatternFingerprints.cpp MorganFingerprints.cpp
AtomPairs.cpp MACCS.cpp FingerprintGenerator.cpp
AtomPairGenerator.cpp MorganGenerator.cpp RDKitFPGenerator.cpp
FingerprintUtil.cpp TopologicalTorsionGenerator.cpp
LINK_LIBRARIES Subgraphs SubstructMatch SmilesParse GraphMol
${RDKit_THREAD_LIBS} )
rdkit_headers(AtomPairs.h
Fingerprints.h
MorganFingerprints.h
MACCS.h
FingerprintGenerator.h
AtomPairGenerator.h
MorganGenerator.h
RDKitFPGenerator.h
TopologicalTorsionGenerator.h
FingerprintUtil.h
DEST GraphMol/Fingerprints)
rdkit_test(testFingerprints test1.cpp LINK_LIBRARIES
Fingerprints FileParsers SubstructMatch SmilesParse
Subgraphs GraphMol DataStructs RDGeometryLib
RDGeneral ${RDKit_THREAD_LIBS} )
rdkit_test(testFingerprintGenerators testFingerprintGenerators.cpp LINK_LIBRARIES
Fingerprints SmilesParse GraphMol DataStructs FileParsers
RDGeneral )
add_subdirectory(Wrap)
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